[1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine

C11H18N6O — CID 165474789

IUPAC[1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine
SMILESCOCC(C)n1nnc(CN)c1-c1ccnn1C
InChIInChI=1S/C11H18N6O/c1-8(7-18-3)17-11(9(6-12)14-15-17)10-4-5-13-16(10)2/h4-5,8H,6-7,12H2,1-3H3
InChIKeyOHHPZAYDQNARSE-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.34
Rot. Bonds5

About [1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine

[1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine (PubChem CID 165474789) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is [1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine
PubChem CID165474789
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name[1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine
SMILESCOCC(C)n1nnc(CN)c1-c1ccnn1C
InChIInChI=1S/C11H18N6O/c1-8(7-18-3)17-11(9(6-12)14-15-17)10-4-5-13-16(10)2/h4-5,8H,6-7,12H2,1-3H3
InChIKeyOHHPZAYDQNARSE-UHFFFAOYSA-N
XLogP0.34
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine?
The IUPAC name of [1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine (CID 165474789) is [1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine is COCC(C)n1nnc(CN)c1-c1ccnn1C.
What is the InChIKey of [1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine?
The InChIKey is OHHPZAYDQNARSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-8(7-18-3)17-11(9(6-12)14-15-17)10-4-5-13-16(10)2/h4-5,8H,6-7,12H2,1-3H3.
What are the key properties of [1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine?
[1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine has a molecular weight of 250.31 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 165474789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).